%chk=000003668.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003668

0 1
 I   -7.446700      -2.167100       2.775500    
 O    3.903000      0.1968000      -1.077800    
 O    4.651900       2.271600       1.143900    
 O    5.594900     -8.5699998E-02   2.077700    
 O    4.383200      -2.283300      -1.483200    
 N    1.718200      0.7262000     -0.2949000    
 N  -7.5599998E-02 -0.6006000     -0.3274000    
 N    6.131600      -2.381200      5.0500002E-02
 N   0.6271000       2.895900     -0.2296000    
 N   -2.894000      0.5394000     -0.2829000    
 N   -1.802800       2.668600     -0.2278000    
 C    3.750200       1.165700       1.104900    
 C    3.127500       1.123000     -0.2878000    
 C    4.511300     -0.1431000       1.172200    
 C    4.962000     -0.3216000     -0.2635000    
 C    5.114200      -1.755500     -0.6491000    
 C   0.6312000       1.555000     -0.2677000    
 C    1.240500     -0.5584000     -0.3309000    
 C  -0.4695000      0.7134000     -0.2879000    
 C   -1.723000       1.316600     -0.2662000    
 C    6.467600      -3.776200     -0.1216000    
 C  -0.6400000       3.363900     -0.2121000    
 C   -4.209200       1.107200     -0.2619000    
 C   -5.278000      4.6799999E-02 -0.2508000    
 C   -5.745900     -0.4412000      0.9613000    
 C   -5.779500     -0.4290000      -1.454400    
 C   -6.735000      -1.424500      0.9702000    
 C   -6.768700      -1.412400      -1.445600    
 C   -7.246500      -1.910100     -0.2333000    
 H    3.037900       1.287600       1.926700    
 H    3.178600       2.092600     -0.7970000    
 H    3.841000     -0.9570000       1.474900    
 H    5.887800      0.2197000     -0.4911000    
 H    4.119800       3.082700       1.073900    
 H    5.232500      0.1365000       2.952300    
 H    1.888700      -1.423200     -0.3525000    
 H    6.686700      -1.842900      0.7093000    
 H    7.453700      -3.833700     -0.5889000    
 H    5.731600      -4.288400     -0.7456000    
 H    6.507000      -4.242200      0.8659000    
 H   -2.779300     -0.4680000     -0.3147000    
 H  -0.7416000       4.443400     -0.1812000    
 H   -4.355600       1.758100      -1.133800    
 H   -4.332700       1.750000      0.6196000    
 H   -5.338500     -5.7500001E-02   1.893600    
 H   -5.412700     -4.9699999E-02  -2.403900    
 H   -7.166300      -1.790900      -2.382800    
 H   -8.017400      -2.676400     -0.2492000    


%chk=000003668-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003668

0 1
I -4.664535 -2.389823 3.154222
O 4.287404 0.574919 -0.992058
O 4.526057 2.232578 1.613901
O 4.915128 -0.219178 2.519552
O 4.127393 -2.190322 -1.451757
N 1.923109 0.916205 -0.753746
N 0.251273 -0.291432 -1.752893
N 5.483445 -2.644655 0.400829
N 0.560200 2.694004 0.331490
N -2.690831 0.594607 -1.424865
N -1.840244 2.392775 -0.114118
C 3.471642 1.320997 1.158257
C 3.269062 1.409824 -0.376525
C 4.066492 -0.100364 1.348351
C 4.861256 -0.331192 0.019191
C 4.786709 -1.801677 -0.442879
C 0.729482 1.568712 -0.430444
C 1.581938 -0.193311 -1.557625
C -0.289268 0.805194 -1.055972
C -1.628535 1.261669 -0.870473
C 5.513101 -4.101044 0.212362
C -0.761792 3.032140 0.431410
C -4.087783 1.026693 -1.293948
C -4.970452 0.012336 -0.569574
C -4.521042 -0.583710 0.637615
C -6.251333 -0.319491 -1.071694
C -5.357512 -1.490254 1.317300
C -7.079049 -1.229350 -0.376431
C -6.639365 -1.826181 0.827460
H 2.529938 1.490009 1.706833
H 3.386007 2.441511 -0.751492
H 3.260799 -0.842883 1.464079
H 5.915451 -0.035068 0.180163
H 4.157600 3.137374 1.759982
H 5.313213 0.685706 2.662529
H 2.347276 -0.874488 -1.931963
H 5.907787 -2.240764 1.242062
H 6.549616 -4.464164 0.090452
H 4.942530 -4.332324 -0.701015
H 5.047109 -4.624053 1.067399
H -2.471444 -0.251635 -1.955879
H -0.989091 3.923429 1.024084
H -4.512621 1.236952 -2.294806
H -4.056768 1.980570 -0.735661
H -3.529796 -0.332261 1.026650
H -6.601898 0.132632 -2.007380
H -8.068797 -1.485358 -0.769769
H -7.277659 -2.534953 1.362091


